N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine

C52H34N2O — CID 122493285

About N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine (PubChem CID 122493285) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine
• PubChem CID: 122493285
• Molecular Formula: C52H34N2O
• Molecular Weight: 702.86 g/mol
• Exact Mass: 702.27
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5O6)cc4)c4cccnc4)cc32)cc1
• InChI: InChI=1S/C52H34N2O/c1-3-13-36(14-4-1)52(37-15-5-2-6-16-37)47-22-9-7-18-42(47)43-29-28-39(33-48(43)52)54(40-17-12-32-53-34-40)38-26-24-35(25-27-38)41-30-31-50-51-45(41)20-11-21-46(51)44-19-8-10-23-49(44)55-50/h1-34H
• InChIKey: AOQNSRVQTDCBGR-UHFFFAOYSA-N
• XLogP: 13.51
• TPSA: 25.36 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.86
LogP ≤ 5	13.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine?

The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine (CID 122493285) is N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5O6)cc4)c4cccnc4)cc32)cc1.

What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine?

The InChIKey is AOQNSRVQTDCBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-3-13-36(14-4-1)52(37-15-5-2-6-16-37)47-22-9-7-18-42(47)43-29-28-39(33-48(43)52)54(40-17-12-32-53-34-40)38-26-24-35(25-27-38)41-30-31-50-51-45(41)20-11-21-46(51)44-19-8-10-23-49(44)55-50/h1-34H.

What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine?

N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine has a molecular weight of 702.86 g/mol, XLogP of 13.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]pyridin-3-amine is sourced from PubChem (CID 122493285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).